methyl 4-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H20ClN3O5S/c1-11-8-15(9-12(2)17(11)21)29-10-16(25)23-24-20(30)22-18(26)13-4-6-14(7-5-13)19(27)28-3/h4-9H,10H2,1-3H3,(H,23,25)(H2,22,24,26,30)